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CAS 24856-58-4 4-Bromobenzaldehyde Dimethyl Acetal molecular structure lightbox
CAS RN: 24856-58-4

4-Bromobenzaldehyde Dimethyl Acetal

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251231 100g In stock Inquiry
Batchno.20250214 10g In stock Inquiry
Batchno.20260402 1g In stock Inquiry
Batchno.20250807 25g In stock Inquiry
Batchno.20260315 5g In stock Inquiry
  • Product code: SSC-119983
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24856-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

24856-58-4 / 1-bromo-4-(dimethoxymethyl)benzene

Standard CAS: 24856-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24856-58-4
Multi CAS
No
Molecular Formula
C9H11BrO2
Molecular Weight
231.090000
Exact Mass
229.994240
SMILES
COC(C1=CC=C(C=C1)Br)OC
InChI
InChI=1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChIKey
TWFNGPDYMFEHOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
50.9
TPSA
18.46

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.2
Consensus LogP
2.45
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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